2-(2,3-diethylpentyl)guanidine

C10H23N3 — CID 54079464

IUPAC2-(2,3-diethylpentyl)guanidine
SMILESCCC(CC)C(CC)CN=C(N)N
InChIInChI=1S/C10H23N3/c1-4-8(5-2)9(6-3)7-13-10(11)12/h8-9H,4-7H2,1-3H3,(H4,11,12,13)
InChIKeyJPLPFXZGUHYAQF-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.72
Rot. Bonds6

About 2-(2,3-diethylpentyl)guanidine

2-(2,3-diethylpentyl)guanidine (PubChem CID 54079464) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(2,3-diethylpentyl)guanidine.

Molecular Properties

Compound Name2-(2,3-diethylpentyl)guanidine
PubChem CID54079464
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-(2,3-diethylpentyl)guanidine
SMILESCCC(CC)C(CC)CN=C(N)N
InChIInChI=1S/C10H23N3/c1-4-8(5-2)9(6-3)7-13-10(11)12/h8-9H,4-7H2,1-3H3,(H4,11,12,13)
InChIKeyJPLPFXZGUHYAQF-UHFFFAOYSA-N
XLogP1.72
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2,3-diethylpentyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diethylpentyl)guanidine?
The IUPAC name of 2-(2,3-diethylpentyl)guanidine (CID 54079464) is 2-(2,3-diethylpentyl)guanidine.
What is the SMILES notation for 2-(2,3-diethylpentyl)guanidine?
The canonical SMILES for 2-(2,3-diethylpentyl)guanidine is CCC(CC)C(CC)CN=C(N)N.
What is the InChIKey of 2-(2,3-diethylpentyl)guanidine?
The InChIKey is JPLPFXZGUHYAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-8(5-2)9(6-3)7-13-10(11)12/h8-9H,4-7H2,1-3H3,(H4,11,12,13).
What are the key properties of 2-(2,3-diethylpentyl)guanidine?
2-(2,3-diethylpentyl)guanidine has a molecular weight of 185.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diethylpentyl)guanidine is sourced from PubChem (CID 54079464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).